SCHEMBL29360693

SCHEMBL29360693

O=Cc1c(Cl)[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KIF11 P52732 1/20 0.46
DDR1 Q08345 2/20 0.41
CCNT1 O60563 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MET P08581 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
CA11 O75493 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24522321 1.00 KDM4E (0.51) KDM4ECRHBPCRHR2KIF11DDR1
SCHEMBL22898919 0.83 KDM4E (0.51) KDM4ECRHBPCRHR2KIF11DDR1
SCHEMBL20138843 0.81 ALDH1A1 (0.56) KDM4EMAPTKMT2AGAACCNB2
SCHEMBL29361281 0.81 ALDH1A1 (0.56) KDM4EMAPTKMT2AGAACCNB2
SCHEMBL29799131 0.76 KIF11 (0.66) KDM4ECRHBPCRHR2KIF11CCNT1
SCHEMBL24522320 0.75 KDM4E (0.44) KDM4EKIF11MAPTKMT2AGAA
SCHEMBL29363428 0.75 LMNA (0.51) KDM4EMAPTKMT2AGAACA9
SCHEMBL22898794 0.75 LMNA (0.51) KDM4EMAPTKMT2AGAACA9
SCHEMBL16920112 0.72 PIM1 (0.46) CDK9MAPTKMT2AMETCYP2C9
SCHEMBL24522294 0.72 KDM4E (0.46) KDM4EKIF11MAPTKMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206857-B Benzofuranyl N-acylhydrazone derivatives and pharmaceutical compositions comprising the same 韩国生命工学研究院 2024-09-06 CN disclosed
CN-116157120-A Anti-inflammatory compositions comprising benzofuranyl N-acylhydrazone derivatives 韩国生命工学研究院 2023-05-23 CN disclosed
CN-114206857-A Benzofuranyl N-acylhydrazone derivatives and pharmaceutical compositions containing the same 韩国生命工学研究院 2022-03-18 CN disclosed
WO-2022019663-A1 ANTI-INFLAMMATORY COMPOSITION COMPRISING BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES 한국생명공학연구원 2022-01-27 WO disclosed